CID 23303881

146763-69-1

Structural Information

Molecular Formula
C17H18O5
SMILES
CCOC(=O)C(=CC1=CC=C(C=C1)OCC#C)C(=O)OCC
InChI
InChI=1S/C17H18O5/c1-4-11-22-14-9-7-13(8-10-14)12-15(16(18)20-5-2)17(19)21-6-3/h1,7-10,12H,5-6,11H2,2-3H3
InChIKey
WPCVRNXUPRQKIY-UHFFFAOYSA-N
Compound name
diethyl 2-[(4-prop-2-ynoxyphenyl)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

302.11542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 167.3
[M+Na]+ 325.10464 176.9
[M+NH4]+ 320.14924 168.8
[M+K]+ 341.07858 169.1
[M-H]- 301.10814 158.6
[M+Na-2H]- 323.09009 167.5
[M]+ 302.11487 165.0
[M]- 302.11597 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe